N-(1,3-benzodioxol-5-ylmethyl)-2-(4-ethylphenyl)-5-(hydroxymethyl)-1,2,3-triazole-4-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(4-ethylphenyl)-5-(hydroxymethyl)-1,2,3-triazole-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(4-ethylphenyl)-5-(hydroxymethyl)triazole-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(4-ethylphenyl)-5-(hydroxymethyl)-4-triazolecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(4-ethylphenyl)-5-(hydroxymethyl)triazole-4-carboxamide Traditional Name: 2-(4-ethylphenyl)-5-methylol-N-piperonyl-triazole-4-carboxamide Formula: C20H20N4O4 MolecularWeight: 380.3972

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2N=C(C(=N2)C(=O)NCC3=CC4=C(C=C3)OCO4)CO

Isomeric SMILES

CCC1=CC=C(C=C1)N2N=C(C(=N2)C(=O)NCC3=CC4=C(C=C3)OCO4)CO

InChI

InChI=1S/C20H20N4O4/c1-2-13-3-6-15(7-4-13)24-22-16(11-25)19(23-24)20(26)21-10-14-5-8-17-18(9-14)28-12-27-17/h3-9,25H,2,10-12H2,1H3,(H,21,26)